SCHEMBL9068406

SCHEMBL9068406

Nc1cc(OC2CCCC2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
FFAR4 Q5NUL3 3/20 0.41
PARP10 Q53GL7 1/20 0.41
PDK2 Q15119 3/20 0.40
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
APP P05067 1/20 0.39
HPGD P15428 1/20 0.37
EPHX2 P34913 1/20 0.37
KAT6A Q92794 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MAOB P27338 1/20 0.36
BTK Q06187 1/20 0.36
FURIN P09958 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22289350 0.86 PTGS1 (0.51) PTGS1PTGS2FFAR4PARP10PDK2
SCHEMBL24749774 0.82 APP (0.45) PTGS1PTGS2FFAR4PDK2BACE1
SCHEMBL31694913 0.82 APP (0.45) PTGS1PTGS2FFAR4PDK2BACE1
SCHEMBL17012836 0.79 PTGS1 (0.51) PTGS1PTGS2FFAR4PARP10PDK2
SCHEMBL9227166 0.79 ACACB (0.40) APP
SCHEMBL17978518 0.79 CASP1 (0.45) PTGS1PTGS2PARP10PDK2HPGD
SCHEMBL6566407 0.79 PTGS1 (0.51) PTGS1PTGS2FFAR4PARP10PDK2
SCHEMBL31508140 0.78 ALDH1A1 (0.43) PTGS1PTGS2FFAR4PARP10BACE1
SCHEMBL29502877 0.77 CASP1 (0.44) PTGS1PTGS2PARP10PDK2HPGD
SCHEMBL18702858 0.77 CASP1 (0.44) PTGS1PTGS2PARP10PDK2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4139168-A None JP disclosed
EP-0635485-B1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 1997-06-11 EP disclosed
US-5554581-A Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-09-10 US disclosed
US-5506190-A Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-04-09 US disclosed
EP-0635485-A1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-01-25 EP disclosed
JP-H04139168-A TETRAHYDROPHTHALIC IMIDE DERIVATIVE AND ITS PRODUCTION CHISSO CORP 1992-05-13 JP disclosed